SCHEMBL17880547

SCHEMBL17880547

O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NCCCc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.50
HTR1A P08908 2/20 0.49
ADRA1A P35348 2/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
GRM4 Q14833 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.43
GLA P06280 1/20 0.42
HTT P42858 1/20 0.42
EGFR P00533 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17880546 0.91 NPC1 (0.47) NPC1RAB9AHTR1AADRA1AKDM4E
SCHEMBL17880528 0.89 NPC1 (0.55) NPC1RAB9AHTR1AL3MBTL1ALDH1A1
SCHEMBL17880525 0.84 NPC1 (0.57) NPC1RAB9AKDM4EGAAL3MBTL1
SCHEMBL19380320 0.84 NPC1 (0.53) NPC1RAB9AKDM4EGAAL3MBTL1
SCHEMBL17803549 0.83 NPC1 (0.52) NPC1RAB9AKDM4EGAAL3MBTL1
SCHEMBL17880531 0.82 SMN1; SMN2 (0.48) NPC1RAB9AKDM4EL3MBTL1KCNQ3
SCHEMBL17880554 0.81 NPC1 (0.49) NPC1RAB9AGAAL3MBTL1KCNQ3
SCHEMBL17880527 0.81 L3MBTL1 (0.47) NPC1RAB9AL3MBTL1ALDH1A1KCNQ3
SCHEMBL17880544 0.81 MAPT (0.50) NPC1RAB9AKDM4EL3MBTL1ALDH1A1
SCHEMBL17880532 0.81 MEN1 (0.53) NPC1RAB9AKDM4EGAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-9765050-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885HTR1A 4588/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 NPC1 798/4885RAB9A 2638/4885HTR1A 4588/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.